SCHEMBL9252549

SCHEMBL9252549

CCOC(=O)C1(C)CC1C(=O)OC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
ALDH1A1 P00352 3/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
TSHR P16473 1/20 0.35
F10 P00742 2/20 0.34
MAPT P10636 2/20 0.33
KDM4E B2RXH2 1/20 0.33
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MAPK1 P28482 1/20 0.33
BRD4 O60885 1/20 0.31
LMNA P02545 1/20 0.31
POLB P06746 1/20 0.31
CTSL P07711 1/20 0.30
GLA P06280 1/20 0.30
PTPN2 P17706 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL24766727 0.84 LMNA (0.39) ALDH1A1MEN1KMT2AF10MAPT
SCHEMBL24766447 0.84 LMNA (0.39) ALDH1A1MEN1KMT2AF10MAPT
SCHEMBL13415371 0.84 LMNA (0.39) ALDH1A1MEN1KMT2AF10MAPT
SCHEMBL12994214 0.81 MAPK1 (0.35) MEN1KMT2ATSHRMAPK1POLB
SCHEMBL3144171 0.81 GAA (0.37) ALDH1A1MEN1KMT2ATSHRF10
SCHEMBL28265693 0.79 NFKB1 (0.35) NFKB1NFKB2RELAALDH1A1MEN1
SCHEMBL12994225 0.78 MAPK1 (0.37) ALDH1A1MEN1KMT2AMAPK1
SCHEMBL15337096 0.78 F10 (0.37) ALDH1A1F10GAAPOLBPTPN1
SCHEMBL9255776 0.78 F10 (0.37) ALDH1A1F10GAAPOLBPTPN1
SCHEMBL12994213 0.75 LMNA (0.37) ALDH1A1MEN1KMT2AMAPTKDM4E

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8658606-B2 Antibacterial aminoglycoside analogs ACHAOGEN, INC. (US) 2014-02-25 US disclosed
US-8653042-B2 Antibacterial aminoglycoside analogs ACHAOGEN, INC. (US) 2014-02-18 US disclosed
US-8524675-B2 Antibacterial aminoglycoside analogs ACHAOGEN, INC. (US) 2013-09-03 US disclosed
US-8524689-B2 Antibacterial aminoglycoside analogs ACHAOGEN, INC. (US) 2013-09-03 US disclosed
US-8492354-B2 Antibacterial aminoglycoside analogs ACHAOGEN, INC. (US) 2013-07-23 US disclosed
US-8481502-B2 Antibacterial aminoglycoside analogs ACHAOGEN, INC. (US) 2013-07-09 US disclosed
US-8372813-B2 Antibacterial aminoglycoside analogs ACHAOGEN, INC. (US) 2013-02-12 US disclosed
US-8367625-B2 Antibacterial aminoglycoside analogs ACHAOGEN, INC. (US) 2013-02-05 US disclosed
US-20120283207-A1 ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS ACHAOGEN, INC. (US) 2012-11-08 US disclosed
US-20120283208-A1 ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS ACHAOGEN, INC. (US) 2012-11-08 US disclosed
US-20120258925-A1 ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS ACHAOGEN, INC. (US) 2012-10-11 US disclosed
US-20120208781-A1 AMINOGLYCOSIDE DOSING REGIMENS ACHAOGEN, INC. (US) 2012-08-16 US disclosed
US-20120184501-A1 ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS ACHAOGEN, INC. (US) 2012-07-19 US disclosed
US-20120172332-A1 ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS ACHAOGEN, INC. (US) 2012-07-05 US disclosed
US-20120165282-A1 ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS ACHAOGEN, INC. (US) 2012-06-28 US disclosed
US-20120135948-A1 ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS ACHAOGEN, INC. (US) 2012-05-31 US disclosed
US-20120135946-A1 ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS ACHAOGEN, INC. (US) 2012-05-31 US disclosed
US-20120135945-A1 ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS ACHAOGEN, INC. (US) 2012-05-31 US disclosed
US-20110288041-A1 ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS ACHAOGEN, INC. (US) 2011-11-24 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (11 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120135948-A1 ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS MRPL21, NQO2, QARS1 NFKB1 1202/4885NFKB2 1002/4885RELA 136/4885
US-20120283208-A1 ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS MRPL21, NQO2, QTRT1 NFKB1 960/4885NFKB2 762/4885RELA 104/4885
US-20120135946-A1 ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS MRPL21, NQO2, QARS1 NFKB1 990/4885NFKB2 834/4885RELA 65/4885
US-20120172332-A1 ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS MRPL21, NQO2, QARS1 NFKB1 835/4885NFKB2 678/4885RELA 51/4885
US-20120135945-A1 ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS MRPL21, NQO2, QARS1 NFKB1 993/4885NFKB2 832/4885RELA 62/4885
US-20120283207-A1 ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS MRPL21, NQO2, QTRT1 NFKB1 960/4885NFKB2 762/4885RELA 104/4885
US-20110288041-A1 ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS MRPL21, NQO2, QARS1 NFKB1 835/4885NFKB2 678/4885RELA 51/4885
US-20120184501-A1 ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS MRPL21, NQO2, QARS1 NFKB1 969/4885NFKB2 821/4885RELA 149/4885
US-20120258925-A1 ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS MRPL21, Q6ZSR9, NQO2 NFKB1 450/4885NFKB2 811/4885RELA 118/4885
US-20120165282-A1 ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS MRPL21, QARS1, NQO2 NFKB1 890/4885NFKB2 987/4885RELA 185/4885
US-20120208781-A1 AMINOGLYCOSIDE DOSING REGIMENS ATP6V1B1, GLS, NRDC NFKB1 684/4885NFKB2 855/4885RELA 787/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.